MassBank Record: JP002722



 3-METHYLGLUTARIC ACID DI-TMS; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002722
RECORD_TITLE: 3-METHYLGLUTARIC ACID DI-TMS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYLGLUTARIC ACID DI-TMS CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H26O4Si2 CH$EXACT_MASS: 290.13696 CH$SMILES: CC(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C12H26O4Si2/c1-10(8-11(13)15-17(2,3)4)9-12(14)16-18(5,6)7/h10H,8-9H2,1-7H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00fs-9510000000-b21fca6f125bf35d1565 PK$NUM_PEAK: 148 PK$PEAK: m/z int. rel.int. 41 5.4 54 42 3.3 33 43 10.3 103 44 7 70 45 14.4 144 46 1.3 13 47 6.8 68 48 0.05 1 49 0.2 2 51 0.5 5 53 0.2 2 55 0.49 5 56 2.5 25 58 2.2 22 59 9.4 94 60 0.08 1 61 4.5 45 62 0.5 5 63 0.2 2 65 0.02 0 66 1 10 67 1.3 13 68 0.2 2 69 7.95 80 70 3.7 37 71 0.8 8 72 6.1 61 73 99.99 999 74 9.8 98 75 59.7 597 76 4.1 41 77 0.3 3 79 0.3 3 81 0.3 3 82 0.9 9 83 0.19 2 84 0.4 4 85 0.2 2 87 0.4 4 88 0.18 2 89 0.7 7 90 0.4 4 91 0.3 3 93 0.03 0 94 0.2 2 95 0.5 5 97 0.3 3 99 0.34 3 100 0.7 7 101 2.4 24 102 0.6 6 103 0.07 1 104 0.1 1 105 1.5 15 107 0.5 5 109 0.03 0 110 0.1 1 111 1.5 15 112 0.2 2 113 0.05 1 114 0.2 2 115 0.6 6 116 6 60 117 1.94 19 118 2.1 21 119 1.3 13 120 0.2 2 124 0.02 0 125 0.1 1 127 0.2 2 128 1.5 15 129 0.24 2 130 4.7 47 131 2.5 25 132 1.7 17 133 0.43 4 134 0.7 7 135 0.6 6 141 3 30 142 0.06 1 143 8.8 88 144 1.5 15 145 1.6 16 146 0.05 1 147 67.7 677 148 11.8 118 149 8.8 88 150 0.1 1 151 0.4 4 155 0.2 2 156 0.2 2 157 0.26 3 158 0.4 4 159 11.8 118 160 1.5 15 161 0.08 1 162 0.6 6 163 0.4 4 165 0.2 2 171 0.02 0 172 16 160 173 3.6 36 174 0.8 8 175 0.03 0 177 0.2 2 179 1 10 180 0.1 1 181 0.02 0 185 2 20 186 0.4 4 187 0.3 3 189 0.11 1 190 0.4 4 191 1.1 11 192 0.2 2 193 0.02 0 194 0.2 2 200 4 40 201 3.5 35 202 0.05 1 203 0.5 5 204 6.5 65 205 1.1 11 206 0.8 8 207 0.2 2 217 0.7 7 218 0.7 7 219 0.13 1 220 0.4 4 221 0.3 3 222 0.4 4 223 0.02 0 229 1.6 16 230 0.3 3 231 0.8 8 232 0.02 0 233 0.6 6 235 0.2 2 247 3.4 34 248 0.09 1 249 0.3 3 261 0.2 2 263 0.2 2 275 2.7 27 276 6 60 277 2.8 28 278 0.2 2 279 0.6 6 //